Geometry & MOs

Info

ID:	346313
PubChem CID:	127270817
Reduced:	O3N4C18H22 (1)
Stoich.:	A3B4C18D22 (1)
Weight, g/mol:	310.168128
ΔH_f, kcal/mol:	-42.63
Dipole, Da:	1.8
IP(EA), eV:	-9.48(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(OC1)CC(=O)N2CCC(CC2)C3=NC(=NO3)C4=CC=CC=N4

DOS

IR

Vibrations