Geometry & MOs

Info

ID:	168712
PubChem CID:	75006619
Reduced:	N2O4C15H16 (1)
Stoich.:	A2B4C15D16 (1)
Weight, g/mol:	436.211055
ΔH_f, kcal/mol:	-113.05
Dipole, Da:	9.32
IP(EA), eV:	-9.54(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-methoxyphenyl)-3-[2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)-4,5-dihydro-3H-1-benzazepin-3-yl]urea

Drug info:

PubChemData

Smile

CC1C2C(C(=O)N2C(=C1C3=CN=CC=C3)C(=O)O)C(C)O

DOS

IR

Vibrations