Geometry & MOs

Info

ID:	423231
PubChem CID:	135119148
Reduced:	O3N5C16H17 (1)
Stoich.:	A3B5C16D17 (1)
Weight, g/mol:	334.119654
ΔH_f, kcal/mol:	-1.87
Dipole, Da:	7.91
IP(EA), eV:	-9.47(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-2,5-dimethyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C[C@@H]2CN(C[C@@H]2O)C(=O)C3=CN4C=CC=NC4=N3

DOS

IR

Vibrations