Geometry & MOs

Info

ID:	152278
PubChem CID:	56311175
Reduced:	N3O4C27H35 (1)
Stoich.:	A3B4C27D35 (1)
Weight, g/mol:	415.247107
ΔH_f, kcal/mol:	-135.61
Dipole, Da:	5.08
IP(EA), eV:	-8.54(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[4-[2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-oxoethyl]-3-methylpiperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1CN(CCN1CC(=O)NCC2(CCOCC2)C3=CC=CC=C3)C4=CC=C(C=C4)C(=O)OC

DOS

IR

Vibrations