Geometry & MOs

Info

ID:	343476
PubChem CID:	127266649
Reduced:	ON4C18H20 (1)
Stoich.:	AB4C18D20 (1)
Weight, g/mol:	340.153541
ΔH_f, kcal/mol:	47.49
Dipole, Da:	9.43
IP(EA), eV:	-8.87(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-methyl-2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)amino]pyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CC2CCCCN2C3=NC(=NC=C3)C#N

DOS

IR

Vibrations