Geometry & MOs

Info

ID:	59393
PubChem CID:	24852020
Reduced:	NOPC18H22 (1)
Stoich.:	ABCD18E22 (1)
Weight, g/mol:	559.398522
ΔH_f, kcal/mol:	-10.1
Dipole, Da:	1.05
IP(EA), eV:	-7.79(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2S,5R)-5-[[4-(3-methoxypropyl)-2,2-dimethyl-3H-1,4-benzoxazin-6-yl]methoxy]piperidin-2-yl]-2,2-dimethyl-N-[(1S)-1-(oxan-4-yl)ethyl]propanamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NC[C@@H]2CCCP2C3=CC=CC=C3

DOS

IR

Vibrations