Geometry & MOs

Info

ID:	186879
PubChem CID:	77500406
Reduced:	O3N5C19H21 (1)
Stoich.:	A3B5C19D21 (1)
Weight, g/mol:	618.294116
ΔH_f, kcal/mol:	-53.56
Dipole, Da:	9.26
IP(EA), eV:	-8.53(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1,4-bis(4-methoxyphenyl)-5-[[4-(3-methoxypropyl)-3-oxo-1,4-benzoxazin-6-yl]methoxy]piperidine-2-carboxylate

Drug info:

PubChemData

Smile

C1C2C(CN1C(=O)NC3=CC=CC=C3)NNC2NC(=O)C4=CC=CC=C4O

DOS

IR

Vibrations