Geometry & MOs

Info

ID:	330780
PubChem CID:	127248187
Reduced:	N6C25H28 (1)
Stoich.:	A6B25C28 (1)
Weight, g/mol:	442.284495
ΔH_f, kcal/mol:	105.9
Dipole, Da:	3.97
IP(EA), eV:	-8.74(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-propan-2-ylindol-3-yl)methyl]-4-[5-(1-propan-2-ylpyrrolidin-3-yl)-1H-pyrazol-4-yl]pyridin-2-amine

Drug info:

PubChemData

Smile

CC(C)N1CCC(C1)C2=C(C=NN2)C3=CC(=NC=C3)NCC4=CC5=C(C=C4)N=CC=C5

DOS

IR

Vibrations