Geometry & MOs

Info

ID:	330193
PubChem CID:	127247180
Reduced:	N5C19H21 (1)
Stoich.:	A5B19C21 (1)
Weight, g/mol:	322.154209
ΔH_f, kcal/mol:	98.0
Dipole, Da:	2.82
IP(EA), eV:	-9.29(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone

Drug info:

PubChemData

Smile

CC1=C(NN=C1)C2CCN(C2)CC3=CN=C(N=C3)C4=CC=CC=C4

DOS

IR

Vibrations