Geometry & MOs

Info

ID:	432024
PubChem CID:	135172156
Reduced:	O2N3C21H35 (1)
Stoich.:	A2B3C21D35 (1)
Weight, g/mol:	476.231122
ΔH_f, kcal/mol:	-103.3
Dipole, Da:	1.48
IP(EA), eV:	-8.26(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[(1S)-1-hydroxy-2-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]ethyl]-6-phenylmethoxy-4H-1,4-benzoxazin-3-one

Drug info:

PubChemData

Smile

CC(C)CN(C1CCN(CC1)C)C2=C(C=C(C=C2)C(C)CC(=O)OC)N

DOS

IR

Vibrations