Geometry & MOs

Info

ID:	132469
PubChem CID:	51366227
Reduced:	ClN6H25C27 (1)
Stoich.:	AB6C25D27 (1)
Weight, g/mol:	343.189592
ΔH_f, kcal/mol:	137.47
Dipole, Da:	6.4
IP(EA), eV:	-8.52(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-(azepan-1-ylmethyl)-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)N2CCN(CC2)C3=NC4=C(N=NN4C5=CC=CC=C53)C6=CC(=CC=C6)Cl)C

DOS

IR

Vibrations