Geometry & MOs

Info

ID:	15899
PubChem CID:	454727
Reduced:	O2N5C22H25 (1)
Stoich.:	A2B5C22D25 (1)
Weight, g/mol:	391.200825
ΔH_f, kcal/mol:	0.98
Dipole, Da:	5.59
IP(EA), eV:	-8.57(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[3-(propan-2-ylamino)pyridin-2-yl]piperazine-1-carbonyl]-1H-indole-6-carbaldehyde

Drug info:

PubChemData

Smile

CC(C)NC1=C(N=CC=C1)N2CCN(CC2)C(=O)C3=CC4=C(N3)C=C(C=C4)C=O

DOS

IR

Vibrations