Geometry & MOs

Info

ID:	422759
PubChem CID:	135118362
Reduced:	N2O5C20H28 (1)
Stoich.:	A2B5C20D28 (1)
Weight, g/mol:	405.216475
ΔH_f, kcal/mol:	-179.61
Dipole, Da:	6.73
IP(EA), eV:	-8.97(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(CN(C)C(=O)[C@@H]1[C@H](N(C(=O)CO1)C2CC2)C3=CC=C(C=C3)OC)O

DOS

IR

Vibrations