Geometry & MOs

Info

ID:	358496
PubChem CID:	127296092
Reduced:	N3O3C22H33 (1)
Stoich.:	A3B3C22D33 (1)
Weight, g/mol:	381.252861
ΔH_f, kcal/mol:	-117.89
Dipole, Da:	3.82
IP(EA), eV:	-8.5(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]-3-pyrrolidin-1-ylazepane-1-carboxamide

Drug info:

PubChemData

Smile

CCC(C1=CC2=C(C=C1)OCCO2)NC(=O)N3CCCCC(C3)N4CCCC4

DOS

IR

Vibrations