Geometry & MOs

Info

ID:	439350
PubChem CID:	135229121
Reduced:	NOC15H23 (1)
Stoich.:	ABC15D23 (1)
Weight, g/mol:	394.236876
ΔH_f, kcal/mol:	-66.81
Dipole, Da:	4.07
IP(EA), eV:	-9.48(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-[[2-ethyl-5-(quinolin-2-ylmethoxy)pyrimidin-4-yl]amino]heptan-1-ol

Drug info:

PubChemData

Smile

CC(C)NC(=O)C1=CC=CC(=C1)CC(C)(C)C

DOS

IR

Vibrations