Geometry & MOs

Info

ID:	307641
PubChem CID:	125307885
Reduced:	O2N5H19C20 (1)
Stoich.:	A2B5C19D20 (1)
Weight, g/mol:	361.153875
ΔH_f, kcal/mol:	149.54
Dipole, Da:	2.8
IP(EA), eV:	-8.2(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5aR)-3-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-7-methoxy-5aH-pyrimido[5,4-b]indol-4-one

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)/C=N\N2C=NC3=C4C=CC(=C[C@@H]4N=C3C2=O)OC

DOS

IR

Vibrations