Geometry & MOs

Info

ID:	202378
PubChem CID:	79665234
Reduced:	N3O3C14H21 (1)
Stoich.:	A3B3C14D21 (1)
Weight, g/mol:	235.132077
ΔH_f, kcal/mol:	-110.42
Dipole, Da:	3.49
IP(EA), eV:	-8.91(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-propan-2-ylmorpholin-2-yl)pyrimidine-5-carbaldehyde

Drug info:

PubChemData

Smile

CC1=C(C(=NC(=N1)C2CN(CCO2)C(C)C)C)C(=O)O

DOS

IR

Vibrations