Geometry & MOs

Info

ID:	349432
PubChem CID:	127275219
Reduced:	O2N3C22H25 (1)
Stoich.:	A2B3C22D25 (1)
Weight, g/mol:	370.200491
ΔH_f, kcal/mol:	-34.02
Dipole, Da:	6.11
IP(EA), eV:	-8.69(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-1,3-dimethyl-5-[2-(4-phenylazepan-1-yl)acetyl]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

C1CC(CCN(C1)CC(=O)N2CC(=O)NC3=CC=CC=C32)C4=CC=CC=C4

DOS

IR

Vibrations