Geometry & MOs

Info

ID:	359578
PubChem CID:	127298852
Reduced:	O3N5C21H29 (1)
Stoich.:	A3B5C21D29 (1)
Weight, g/mol:	375.20591
ΔH_f, kcal/mol:	-67.61
Dipole, Da:	5.66
IP(EA), eV:	-8.52(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-cyclopentylpyrrolidin-1-yl)-(5-methyl-1-quinolin-8-yltriazol-4-yl)methanone

Drug info:

PubChemData

Smile

CC1=C(N=NN1C2=CC3=C(C=C2)OCCO3)C(=O)NC4CCN(CC4)C(C)(C)C

DOS

IR

Vibrations