Geometry & MOs

Info

ID:	308025
PubChem CID:	125311858
Reduced:	N4O4C19H24 (1)
Stoich.:	A4B4C19D24 (1)
Weight, g/mol:	378.132805
ΔH_f, kcal/mol:	-115.4
Dipole, Da:	9.09
IP(EA), eV:	-8.83(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]-2H-pyrimido[5,4-b]indol-4-one

Drug info:

PubChemData

Smile

COCCCNC(=O)C[C@H]1C(=O)N(C(=O)N1)CCC2=C3C=CC=CC3=NC2

DOS

IR

Vibrations