Geometry & MOs

Info

ID:	330781
PubChem CID:	127248188
Reduced:	N6C27H34 (1)
Stoich.:	A6B27C34 (1)
Weight, g/mol:	445.247775
ΔH_f, kcal/mol:	78.55
Dipole, Da:	4.74
IP(EA), eV:	-8.29(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[4-[2-[(6-ethoxy-2,3-dihydro-1H-inden-5-yl)methylamino]pyridin-4-yl]-1H-pyrazol-5-yl]pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC(C)N1CCC(C1)C2=C(C=NN2)C3=CC(=NC=C3)NCC4=CN(C5=CC=CC=C54)C(C)C

DOS

IR

Vibrations