Geometry & MOs

Info

ID:	320614
PubChem CID:	126662050
Reduced:	OC7H12 (1)
Stoich.:	AB7C12 (1)
Weight, g/mol:	535.35224
ΔH_f, kcal/mol:	-39.06
Dipole, Da:	2.75
IP(EA), eV:	-9.26(0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-carbamoylpentyl)-4-[4-[4-[ethyl-(5-ethylpyrimidin-2-yl)amino]butoxy]phenyl]cyclohex-3-ene-1-carboxamide

Drug info:

PubChemData

Smile

CC/C(=C/C)/C(=C)O

DOS

IR

Vibrations