Geometry & MOs

Info

ID:	167464
PubChem CID:	74831920
Reduced:	ON7C24H35 (1)
Stoich.:	AB7C24D35 (1)
Weight, g/mol:	353.150619
ΔH_f, kcal/mol:	58.07
Dipole, Da:	6.45
IP(EA), eV:	-8.79(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-4-amino-5-chloro-2-ethoxybenzamide

Drug info:

PubChemData

Smile

CC(C)(C)C1C2C(C(=O)NC(N2)N(CC3CC3)CC4=CC(=CC=C4)N5C=CC=N5)N(N1)C

DOS

IR

Vibrations