Geometry & MOs

Info

ID:	368000
PubChem CID:	127326382
Reduced:	ON7C17H27 (1)
Stoich.:	AB7C17D27 (1)
Weight, g/mol:	314.185509
ΔH_f, kcal/mol:	33.74
Dipole, Da:	3.01
IP(EA), eV:	-8.88(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCN1C(=CC=N1)NC(=O)N2CCCN(CC2)CC3=CN(N=C3)C

DOS

IR

Vibrations