Geometry & MOs

Info

ID:	423857
PubChem CID:	135120513
Reduced:	N3O3C16H23 (1)
Stoich.:	A3B3C16D23 (1)
Weight, g/mol:	392.221226
ΔH_f, kcal/mol:	-124.25
Dipole, Da:	1.87
IP(EA), eV:	-9.46(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-5-(2-methylpropyl)-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC[C@]1(CCC[C@H]2[C@@H]1CN(C2)C(=O)CN3C=CC=NC3=O)O

DOS

IR

Vibrations