Geometry & MOs

Info

ID:	189151
PubChem CID:	77823742
Reduced:	N3O5C23H33 (1)
Stoich.:	A3B5C23D33 (1)
Weight, g/mol:	569.288971
ΔH_f, kcal/mol:	-209.4
Dipole, Da:	2.28
IP(EA), eV:	-9.22(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1C(C(=O)CO1)NC(=O)C(CC2(CCCC2)C)NC(=O)C3=CC(=C(C=C3)O)N(C)C

DOS

IR

Vibrations