Geometry & MOs

Info

ID:	346314
PubChem CID:	127270818
Reduced:	N2O2C19H22 (1)
Stoich.:	A2B2C19D22 (1)
Weight, g/mol:	375.134969
ΔH_f, kcal/mol:	-5.45
Dipole, Da:	1.84
IP(EA), eV:	-9.26(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2(CC2)CNC(=O)C3=NOC4=C3CCCC4

DOS

IR

Vibrations