Geometry & MOs

Info

ID:	344295
PubChem CID:	127267471
Reduced:	O2N3C19H29 (1)
Stoich.:	A2B3C19D29 (1)
Weight, g/mol:	326.174276
ΔH_f, kcal/mol:	-101.42
Dipole, Da:	10.44
IP(EA), eV:	-8.52(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-6-[1-(4-propan-2-ylbenzoyl)pyrrolidin-3-yl]-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

CCCCN(C)C1=CC=C(C=C1)C(=O)NCC2CC(NC(=O)C2)C

DOS

IR

Vibrations