Geometry & MOs

Info

ID:	171978
PubChem CID:	75449463
Reduced:	ClNO2C19H22 (1)
Stoich.:	ABC2D19E22 (1)
Weight, g/mol:	372.179755
ΔH_f, kcal/mol:	-57.9
Dipole, Da:	3.41
IP(EA), eV:	-9.06(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-5-[2-(5-hydroxy-1,3,4,5-tetrahydro-2-benzazepin-2-yl)propanoyl]-1,3-dimethylpyrimidine-2,4-dione

Drug info:

PubChemData

Smile

C1CN(CC2=CC=CC=C2C1O)CCCOC3=CC(=CC=C3)Cl

DOS

IR

Vibrations