Geometry & MOs

Info

ID:	445889
PubChem CID:	135269875
Reduced:	O2N7C20H27 (1)
Stoich.:	A2B7C20D27 (1)
Weight, g/mol:	417.191323
ΔH_f, kcal/mol:	29.27
Dipole, Da:	4.6
IP(EA), eV:	-8.18(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-N-(1H-benzimidazol-2-yl)-6-[4-(dimethylcarbamoyl)cyclohepta-1,3-dien-1-yl]pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

CN1CC(=NC(=C1N)C2N(N=C(O2)N3CCC3)C)C4=CC=C(C=C4)C(=O)N(C)C

DOS

IR

Vibrations