Geometry & MOs

Info

ID:	177868
PubChem CID:	76246509
Reduced:	N2O4C25H36 (1)
Stoich.:	A2B4C25D36 (1)
Weight, g/mol:	425.155098
ΔH_f, kcal/mol:	-156.95
Dipole, Da:	6.97
IP(EA), eV:	-8.44(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 3-[4-(cyclopropylcarbamoyl)phenyl]prop-2-enoate

Drug info:

PubChemData

Smile

CC(C)COC1=C(C=C(C=C1)C=CC(=O)N2CCN(CC2)C(=O)CC3CCCC3)OC

DOS

IR

Vibrations