Geometry & MOs

Info

ID:	419600
PubChem CID:	135108534
Reduced:	ClO3N4C16H17 (1)
Stoich.:	AB3C4D16E17 (1)
Weight, g/mol:	369.216475
ΔH_f, kcal/mol:	-64.35
Dipole, Da:	5.22
IP(EA), eV:	-9.62(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-ethyl-2-morpholin-4-yl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1=C(N=CO1)C(=O)N2CCCN(CC2)C(=O)C3=CC(=CN=C3)Cl

DOS

IR

Vibrations