Geometry & MOs

Info

ID:	368002
PubChem CID:	127326384
Reduced:	O3N5C20H27 (1)
Stoich.:	A3B5C20D27 (1)
Weight, g/mol:	319.237211
ΔH_f, kcal/mol:	-50.75
Dipole, Da:	3.97
IP(EA), eV:	-8.76(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(cyclopentylmethyl)-4-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CN1C=C(C=N1)CN2CCCN(CC2)C(=O)NCC3COC4=CC=CC=C4O3

DOS

IR

Vibrations