Geometry & MOs

Info

ID:	189164
PubChem CID:	77823990
Reduced:	ON3C26H35 (1)
Stoich.:	AB3C26D35 (1)
Weight, g/mol:	555.273321
ΔH_f, kcal/mol:	-12.06
Dipole, Da:	5.27
IP(EA), eV:	-8.48(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-4-[3-(2-hydroxyphenyl)phenyl]-N-[4-(3-methoxypropyl)-3-oxo-1,4-benzoxazin-6-yl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CCC(CC)C1C(=O)NC(C(=C)N1CC2=CC=C(C=C2)N)C3CC4=C(C3)C=CCC4

DOS

IR

Vibrations