Geometry & MOs

Info

ID:	245222
PubChem CID:	99437941
Reduced:	N4O4C21H24 (1)
Stoich.:	A4B4C21D24 (1)
Weight, g/mol:	354.169191
ΔH_f, kcal/mol:	-122.34
Dipole, Da:	3.2
IP(EA), eV:	-8.9(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-N-(3-methylphenyl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC(=O)N2CCN(CC2)C(=O)C3=CC(=CC=C3)OCC(=O)N

DOS

IR

Vibrations