Geometry & MOs

Info

ID:

41030

PubChem CID:

8145143

Reduced:

O2S2N4C14H23 (1)

Stoich.:

A2B2C4D14E23 (1)

Weight, g/mol:

312.137497

ΔHf, kcal/mol:

-23.16

Dipole, Da:

16.04

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.757730

Charge, e:

 0

Chem-info

IUPAC name:

1-anilino-3,7-dimethylpyrido[1,2-a]benzimidazole-4-carbonitrile

Drug info:

PubChemData

Smile

CCOC(=O)C1CC[NH+](CC1)CN2C(=S)SC(=N2)NCC=C

DOS

IR

Vibrations