Geometry & MOs

Info

ID:	129427
PubChem CID:	51072543
Reduced:	N3O4C17H23 (1)
Stoich.:	A3B4C17D23 (1)
Weight, g/mol:	322.146347
ΔH_f, kcal/mol:	-66.52
Dipole, Da:	9.63
IP(EA), eV:	-8.93(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]ethanol

Drug info:

PubChemData

Smile

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)CC3CCCO3)[N+](=O)[O-]

DOS

IR

Vibrations