Geometry & MOs

Info

ID:	417690
PubChem CID:	135102499
Reduced:	ClO4N7C32H48 (1)
Stoich.:	AB4C7D32E48 (1)
Weight, g/mol:	306.088353
ΔH_f, kcal/mol:	-182.73
Dipole, Da:	5.83
IP(EA), eV:	-8.96(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCC1=NC(=C(N1)CN2CCCC(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)NCCC2)C(C)C)C)CC3=CC=CC=C3)Cl

DOS

IR

Vibrations