Geometry & MOs

Info

ID:	330777
PubChem CID:	127248184
Reduced:	O2N6C23H26 (1)
Stoich.:	A2B6C23D26 (1)
Weight, g/mol:	379.180839
ΔH_f, kcal/mol:	-6.14
Dipole, Da:	1.24
IP(EA), eV:	-8.66(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[4-[2-[(4-fluorophenyl)methylamino]pyridin-4-yl]-1H-pyrazol-5-yl]pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC(=O)NCC(=O)N1CCC(C1)C2=C(C=NN2)C3=CC(=NC=C3)NCC4=CC=CC=C4

DOS

IR

Vibrations