Geometry & MOs

Info

ID:	358476
PubChem CID:	127296072
Reduced:	ON5C22H31 (1)
Stoich.:	AB5C22D31 (1)
Weight, g/mol:	381.252861
ΔH_f, kcal/mol:	1.31
Dipole, Da:	7.82
IP(EA), eV:	-9.01(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]-3-pyrrolidin-1-ylazepane-1-carboxamide

Drug info:

PubChemData

Smile

C1CCN(CC(C1)N2CCCC2)C(=O)NCC3=CC=C(C=C3)CN4C=CN=C4

DOS

IR

Vibrations