Geometry & MOs

Info

ID:	423139
PubChem CID:	135118989
Reduced:	N3O3C20H27 (1)
Stoich.:	A3B3C20D27 (1)
Weight, g/mol:	364.189926
ΔH_f, kcal/mol:	-72.23
Dipole, Da:	8.88
IP(EA), eV:	-8.97(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]acetamide

Drug info:

PubChemData

Smile

CC1(CC1(C2=CC=C(C=C2)OC)C(=O)N(CCO)CC3=CN=CN3C)C

DOS

IR

Vibrations