Geometry & MOs

Info

ID:	77436
PubChem CID:	48431458
Reduced:	O2N3C18H25 (1)
Stoich.:	A2B3C18D25 (1)
Weight, g/mol:	347.220892
ΔH_f, kcal/mol:	-53.23
Dipole, Da:	4.73
IP(EA), eV:	-9.1(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[[1-(2-methoxyethyl)piperidin-4-yl]amino]-4-oxobutan-2-yl]benzamide

Drug info:

PubChemData

Smile

COCCN1CCC(CC1)NC(=O)CCC2=CC=C(C=C2)C#N

DOS

IR

Vibrations