Geometry & MOs

Info

ID:	74081
PubChem CID:	48421436
Reduced:	OSN6C19H26 (1)
Stoich.:	ABC6D19E26 (1)
Weight, g/mol:	400.283826
ΔH_f, kcal/mol:	35.59
Dipole, Da:	5.58
IP(EA), eV:	-8.58(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,5-dimethylpyrrolidin-1-yl)-N-[[4-(2-methylpropanoylamino)phenyl]methyl]piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1CCC(N1C2CCCN(C2)C(=O)NC3=NN=C(S3)C4=CC=CC=N4)C

DOS

IR

Vibrations