Geometry & MOs

Info

ID:	221983
PubChem CID:	85293154
Reduced:	O4C27H44 (1)
Stoich.:	A4B27C44 (1)
Weight, g/mol:	433.261694
ΔH_f, kcal/mol:	-107.93
Dipole, Da:	2.55
IP(EA), eV:	-7.66(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1C2C(CC3C2(CCC4C3CCC5C4(CCC(C5)O)C)C)OC(C1=O)CC(C)CO

DOS

IR

Vibrations