Geometry & MOs

Info

ID:	359780
PubChem CID:	127299824
Reduced:	N7C17H21 (1)
Stoich.:	A7B17C21 (1)
Weight, g/mol:	394.213554
ΔH_f, kcal/mol:	96.63
Dipole, Da:	5.99
IP(EA), eV:	-8.98(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-chloro-6-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]pyridin-3-yl]-piperidin-1-ylmethanone

Drug info:

PubChemData

Smile

CC1CCCN(C1)C2=NC=NC(=C2)NCC3=NN=C4N3C=CC=C4

DOS

IR

Vibrations