Geometry & MOs

Info

ID:	330176
PubChem CID:	127247163
Reduced:	ON4C18H18 (1)
Stoich.:	AB4C18D18 (1)
Weight, g/mol:	306.148061
ΔH_f, kcal/mol:	39.53
Dipole, Da:	5.31
IP(EA), eV:	-9.19(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-quinolin-2-ylmethanone

Drug info:

PubChemData

Smile

CC1=C(NN=C1)C2CCN(C2)C(=O)C3=NC=CC4=CC=CC=C43

DOS

IR

Vibrations