Geometry & MOs

Info

ID:	444610
PubChem CID:	135263021
Reduced:	N3O4C33H37 (1)
Stoich.:	A3B4C33D37 (1)
Weight, g/mol:	435.252192
ΔH_f, kcal/mol:	-85.14
Dipole, Da:	5.3
IP(EA), eV:	-8.5(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-methyl-1-(2-piperidin-1-ylphenyl)butyl]-2-(3-oxo-4H-1,4-benzoxazin-7-yl)acetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(C2=CC=C(O2)C)NC(=O)C3(CC3)C4=CC5=C(C=C4)N(C=C5)CCC(=O)O)N6CCCCC6

DOS

IR

Vibrations