Geometry & MOs

Info

ID:	307640
PubChem CID:	125307882
Reduced:	ClN2O3H17C27 (1)
Stoich.:	AB2C3D17E27 (1)
Weight, g/mol:	361.153875
ΔH_f, kcal/mol:	18.85
Dipole, Da:	2.71
IP(EA), eV:	-9.3(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C(C(=O)NC3=C2C=C(C=C3)Cl)C(=O)/C=C/[C@H]4C=C5C=CC=CC5=NC4=O

DOS

IR

Vibrations