Geometry & MOs

Info

ID:	346570
PubChem CID:	127271074
Reduced:	O3N6C18H26 (1)
Stoich.:	A3B6C18D26 (1)
Weight, g/mol:	373.155705
ΔH_f, kcal/mol:	-98.32
Dipole, Da:	1.98
IP(EA), eV:	-8.94(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1CCC(CC1=O)C(=O)NCCC(=O)N2CCN(CC2)C3=NC=CC=N3

DOS

IR

Vibrations