Geometry & MOs

Info

ID:	245083
PubChem CID:	99437394
Reduced:	N2O2C12H13 (2)
Stoich.:	A2B2C12D13 (2)
Weight, g/mol:	443.170588
ΔH_f, kcal/mol:	-89.68
Dipole, Da:	2.59
IP(EA), eV:	-8.79(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3R)-3-[[4-(5-amino-4-cyanopyrazol-1-yl)phenyl]carbamoyl]-2-phenyl-3,4-dihydropyrazole-5-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=NN([C@@H](C1)C(=O)NCC(=O)N2CCCC3=CC=CC=C32)C4=CC=CC=C4

DOS

IR

Vibrations