Geometry & MOs

Info

ID:	235992
PubChem CID:	92711317
Reduced:	O3N4C21H30 (1)
Stoich.:	A3B4C21D30 (1)
Weight, g/mol:	358.200491
ΔH_f, kcal/mol:	-114.9
Dipole, Da:	5.25
IP(EA), eV:	-8.9(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3S)-3-phenyl-3-[(1,3,5-trimethylpyrazol-4-yl)methylcarbamoylamino]propanoate

Drug info:

PubChemData

Smile

CCN1C(=C(C(=N1)C)CCNC(=O)N[C@H](CC(=O)OCC)C2=CC=CC=C2)C

DOS

IR

Vibrations