Geometry & MOs

Info

ID:	307484
PubChem CID:	125307129
Reduced:	N3O5C20H21 (1)
Stoich.:	A3B5C20D21 (1)
Weight, g/mol:	108.043596
ΔH_f, kcal/mol:	-140.77
Dipole, Da:	2.95
IP(EA), eV:	-8.73(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-3H-pyrazole-5-carbonitrile

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)C(=O)N(C=N2)CC(=O)N[C@@H](CO)C3=CC=CC=C3)OC

DOS

IR

Vibrations