Geometry & MOs

Info

ID:	342920
PubChem CID:	127266083
Reduced:	NSO5C16H23 (1)
Stoich.:	ABC5D16E23 (1)
Weight, g/mol:	269.164046
ΔH_f, kcal/mol:	-186.08
Dipole, Da:	7.23
IP(EA), eV:	-9.3(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2,5-dimethylpyrazol-3-yl)methyl]-1-ethylbenzimidazol-2-amine

Drug info:

PubChemData

Smile

CCC1(CC1)CNS(=O)(=O)C2=C(C=C(C=C2)OC)CC(=O)OC

DOS

IR

Vibrations