Geometry & MOs

Info

ID:	330511
PubChem CID:	127247918
Reduced:	N3O3C19H25 (1)
Stoich.:	A3B3C19D25 (1)
Weight, g/mol:	343.200825
ΔH_f, kcal/mol:	-93.48
Dipole, Da:	3.8
IP(EA), eV:	-8.86(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-indazol-1-ylpropanoyl)-N,4-dimethyl-1,4-diazepane-6-carboxamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)C(=CO2)CC(=O)N3CCN(CC(C3)C(=O)NC)C

DOS

IR

Vibrations