Geometry & MOs

Info

ID:	235993
PubChem CID:	92711320
Reduced:	O3N4C19H26 (1)
Stoich.:	A3B4C19D26 (1)
Weight, g/mol:	372.216141
ΔH_f, kcal/mol:	-100.17
Dipole, Da:	5.32
IP(EA), eV:	-9.11(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3R)-3-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylcarbamoylamino]-3-phenylpropanoate

Drug info:

PubChemData

Smile

CCOC(=O)C[C@@H](C1=CC=CC=C1)NC(=O)NCC2=C(N(N=C2C)C)C

DOS

IR

Vibrations