Geometry & MOs

Info

ID:	360206
PubChem CID:	127300849
Reduced:	ON2C10H12 (2)
Stoich.:	AB2C10D12 (2)
Weight, g/mol:	369.216475
ΔH_f, kcal/mol:	-32.41
Dipole, Da:	1.66
IP(EA), eV:	-8.87(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-2-[4-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepane-1-carbonyl]-1,5,6,7-tetrahydroindol-4-one

Drug info:

PubChemData

Smile

CCOC1=NC(=NC=C1)N2CCN(CC2)C(=O)C3=CC=CC4=C3CCC4

DOS

IR

Vibrations