Geometry & MOs

Info

ID:	206310
PubChem CID:	80228549
Reduced:	N2O4C11H16 (1)
Stoich.:	A2B4C11D16 (1)
Weight, g/mol:	263.109233
ΔH_f, kcal/mol:	-157.45
Dipole, Da:	5.2
IP(EA), eV:	-9.78(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methylthiophen-3-yl)-6-[(propan-2-ylamino)methyl]-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1(C(=O)N(CCN1C(=O)C=CC(=O)O)C)C

DOS

IR

Vibrations