Geometry & MOs

Info

ID:	42971
PubChem CID:	10317461
Reduced:	NO3C24H27 (1)
Stoich.:	AB3C24D27 (1)
Weight, g/mol:	377.221561
ΔH_f, kcal/mol:	-85.33
Dipole, Da:	8.69
IP(EA), eV:	-9.37(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-benzyl-4-methyl-1,4-diazepan-6-yl)-1-methylindazole-3-carboxamide

Drug info:

PubChemData

Smile

CCCCCCC[C@H]1CCC2=C(O1)C=CC(=C2)C(=O)OC3=CC=C(C=C3)C#N

DOS

IR

Vibrations