Geometry & MOs

Info

ID:	202579
PubChem CID:	79690645
Reduced:	ISN3H14C16 (1)
Stoich.:	ABC3D14E16 (1)
Weight, g/mol:	394.99532
ΔH_f, kcal/mol:	111.21
Dipole, Da:	7.95
IP(EA), eV:	-9.06(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-cyclopropyl-2-(5-iodothiophen-3-yl)benzimidazol-5-yl]methanamine

Drug info:

PubChemData

Smile

CC(C)CN1C2=C(C=C(C=C2)C#N)N=C1C3=CSC(=C3)I

DOS

IR

Vibrations