Geometry & MOs

Info

ID:	161674
PubChem CID:	57392302
Reduced:	BrCl2O2N4C29H33 (1)
Stoich.:	AB2C2D4E29F33 (1)
Weight, g/mol:	535.271403
ΔH_f, kcal/mol:	-22.68
Dipole, Da:	7.67
IP(EA), eV:	-8.13(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-[(3R)-3-[4-[4-methoxy-N-[(4-methylpyridin-3-yl)methyl]anilino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC(CCNC(=O)C1=C(C=NC=C1Cl)Cl)N2CCC(CC2)N(CC3=CC(=CC=C3)OC)C4=CC=C(C=C4)Br

DOS

IR

Vibrations