Geometry & MOs

Info

ID:	421376
PubChem CID:	135115892
Reduced:	O3N5C17H25 (1)
Stoich.:	A3B5C17D25 (1)
Weight, g/mol:	287.138225
ΔH_f, kcal/mol:	-114.03
Dipole, Da:	2.58
IP(EA), eV:	-8.6(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-1H-pyrazole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=O)N(C(=O)N1)CCN2CCC(CC2)C(C3=NC=CN3C)O

DOS

IR

Vibrations