Geometry & MOs

Info

ID:	1348
PubChem CID:	4210
Reduced:	N2O2C7H8 (2)
Stoich.:	A2B2C7D8 (2)
Weight, g/mol:	304.117155
ΔH_f, kcal/mol:	-126.92
Dipole, Da:	1.8
IP(EA), eV:	-8.89(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,6-diamino-7-methyl-5,8-dioxo-2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl)methyl carbamate

Drug info:

PubChemData

Smile

CC1=C(C(=O)C2=C(C1=O)N3CC(CC3=C2COC(=O)N)N)N

DOS

IR

Vibrations