Geometry & MOs

Info

ID:	58642
PubChem CID:	24712384
Reduced:	NOC10H13 (2)
Stoich.:	ABC10D13 (2)
Weight, g/mol:	286.131742
ΔH_f, kcal/mol:	-38.22
Dipole, Da:	1.63
IP(EA), eV:	-8.15(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[cyclopropyl-[(4-methylphenyl)methyl]amino]methyl]-1,3-oxazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CN2CCC3=CC(=C(C=C3C2CN)OC)OC

DOS

IR

Vibrations