Geometry & MOs

Info

ID:	222054
PubChem CID:	85293679
Reduced:	N3O4C31H31 (1)
Stoich.:	A3B4C31D31 (1)
Weight, g/mol:	509.292994
ΔH_f, kcal/mol:	27.57
Dipole, Da:	6.02
IP(EA), eV:	-8.24(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[3-[[4-(4-tert-butylphenyl)phenyl]methyl-(cyclohexanecarbonyl)amino]phenyl]prop-2-enoate

Drug info:

PubChemData

Smile

CCOC(=C=NC1CCCCC1)C=C(C2=CC=CC=C2)N(C3=CC=CC=C3)C(=O)C4=CC=C(C=C4)[N+](=O)[O-]

DOS

IR

Vibrations