Geometry & MOs

Info

ID:	330778
PubChem CID:	127248185
Reduced:	FON5C21H22 (1)
Stoich.:	ABC5D21E22 (1)
Weight, g/mol:	391.200825
ΔH_f, kcal/mol:	-7.39
Dipole, Da:	4.61
IP(EA), eV:	-8.78(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations