Geometry & MOs

Info

ID:	346420
PubChem CID:	127270924
Reduced:	O4N5C19H21 (1)
Stoich.:	A4B5C19D21 (1)
Weight, g/mol:	376.189926
ΔH_f, kcal/mol:	-114.96
Dipole, Da:	2.38
IP(EA), eV:	-9.01(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=C(C(=C1)C(=O)N3CCN(CC3)C(=O)CN4C(=O)CCC4=O)NN=C2

DOS

IR

Vibrations