Geometry & MOs

Info

ID:	179349
PubChem CID:	76469257
Reduced:	ClO2N4H21C22 (1)
Stoich.:	AB2C4D21E22 (1)
Weight, g/mol:	416.221226
ΔH_f, kcal/mol:	16.25
Dipole, Da:	1.27
IP(EA), eV:	-9.28(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(dimethylamino)phenyl]-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-2-phenylcyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=NC(=NC=C1OCC2(CC2C(=O)NC3=NC=C(C=C3)Cl)C4=CC=CC=C4)C

DOS

IR

Vibrations