Geometry & MOs

Info

ID:	364131
PubChem CID:	127314304
Reduced:	NOC4H7 (3)
Stoich.:	ABC4D7 (3)
Weight, g/mol:	362.243024
ΔH_f, kcal/mol:	-122.6
Dipole, Da:	2.09
IP(EA), eV:	-9.52(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1-ethylpyrazol-4-yl)methyl]-N-(2-oxoazepan-3-yl)-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CC1(COC1)CNC(=O)NC2CCCCNC2=O

DOS

IR

Vibrations