Geometry & MOs

Info

ID:	349663
PubChem CID:	127275815
Reduced:	SO2N5C16H19 (1)
Stoich.:	AB2C5D16E19 (1)
Weight, g/mol:	391.200825
ΔH_f, kcal/mol:	8.3
Dipole, Da:	5.01
IP(EA), eV:	-8.95(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-N-[2-(4-methyl-1,4-diazepane-1-carbonyl)phenyl]-1H-indazole-7-carboxamide

Drug info:

PubChemData

Smile

CN1CCCN(CC1)C(=O)C2=CC=CC=C2NC(=O)C3=CSN=N3

DOS

IR

Vibrations