Geometry & MOs

Info

ID:	173566
PubChem CID:	75653822
Reduced:	O2N6C17H23 (1)
Stoich.:	A2B6C17D23 (1)
Weight, g/mol:	378.145868
ΔH_f, kcal/mol:	29.47
Dipole, Da:	8.44
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.759628
Charge, e:	0

Chem-info

IUPAC name:

3-[(2-chlorophenyl)methylideneamino]-2-hydroxy-7-methoxy-2,4a,5,5a,6,7,8,9,9a,9b-decahydro-1H-pyrimido[5,4-b]indol-4-one

Drug info:

PubChemData

Smile

CC1CCCN(C1)C2=[NH+]C(=NC(=C2[N+](=O)[O-])N)NC3=CC=CC(=C3)C

DOS

IR

Vibrations