Geometry & MOs

Info

ID:	329356
PubChem CID:	126735267
Reduced:	ON2C17H18 (1)
Stoich.:	AB2C17D18 (1)
Weight, g/mol:	480.310041
ΔH_f, kcal/mol:	5.39
Dipole, Da:	2.49
IP(EA), eV:	-8.64(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-1-(3-butoxy-3-phenylazetidin-1-yl)-2-cyclohexyl-1-oxopropan-2-yl]-3-(1H-imidazol-5-yl)propanamide

Drug info:

PubChemData

Smile

CCC1=NC2=C(C3=CC=CC=C3C=C2)N=C1OC(C)C

DOS

IR

Vibrations