Geometry & MOs

Info

ID:	156435
PubChem CID:	56370591
Reduced:	OSN3C21H27 (1)
Stoich.:	ABC3D21E27 (1)
Weight, g/mol:	356.246378
ΔH_f, kcal/mol:	-1.13
Dipole, Da:	3.93
IP(EA), eV:	-8.69(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-cycloheptylpyrrolidin-3-yl)-4-(4-methylphenyl)-4-oxobutanamide

Drug info:

PubChemData

Smile

C1CCCC(CC1)N2CCC(C2)NC(=O)C3=CN=C(S3)C4=CC=CC=C4

DOS

IR

Vibrations