Geometry & MOs

Info

ID:	148247
PubChem CID:	53787909
Reduced:	N2O3C22H26 (1)
Stoich.:	A2B3C22D26 (1)
Weight, g/mol:	504.23727
ΔH_f, kcal/mol:	-46.18
Dipole, Da:	2.05
IP(EA), eV:	-8.24(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[[N-acetyl-3-methoxy-4-[(2-methylphenyl)carbamoylamino]anilino]methyl]azepin-1-yl]butanoic acid

Drug info:

PubChemData

Smile

CC(C)(C)CON=C1CCC2=C1C=C(C=C2)N3C(=C4CCC=CC4=C3O)O

DOS

IR

Vibrations