Geometry & MOs

Info

ID:	217557
PubChem CID:	85087998
Reduced:	N3O4C20H29 (1)
Stoich.:	A3B4C20D29 (1)
Weight, g/mol:	375.215806
ΔH_f, kcal/mol:	-170.16
Dipole, Da:	3.98
IP(EA), eV:	-9.74(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[3-[[5-[2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]-1,2-oxazole-3-carbonyl]amino]propyl]carbamate

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(C)C=C)NC(=O)CNC(=O)OCC1=CC=CC=C1

DOS

IR

Vibrations