Geometry & MOs

Info

ID:	148436
PubChem CID:	53788098
Reduced:	PN2O3C34H61 (1)
Stoich.:	AB2C3D34E61 (1)
Weight, g/mol:	439.212058
ΔH_f, kcal/mol:	-217.69
Dipole, Da:	3.24
IP(EA), eV:	-8.81(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[6-(aminomethyl)-1H-benzimidazol-2-yl]-2-(4-methoxyphenyl)ethyl]-3H-benzimidazole-5-carboximidamide

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)ON2C(CC(CC2(C)C)CCCCCCCCCCCCNP3OCC(CO3)(C)C)(C)C

DOS

IR

Vibrations