Geometry & MOs

Info

ID:	168191
PubChem CID:	74935865
Reduced:	N2O8C33H46 (1)
Stoich.:	A2B8C33D46 (1)
Weight, g/mol:	390.251858
ΔH_f, kcal/mol:	-282.69
Dipole, Da:	2.95
IP(EA), eV:	-8.27(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[3-(3-ethyl-1-methylazepan-3-yl)phenoxy]carbonylamino]-3-methylpentanoic acid

Drug info:

PubChemData

Smile

CC(C)(C)C(C)(C1CC23CCC1(C4C25CCN(C3CC6=C5C(=C(C=C6)OC(=O)NC(CO)C(=O)O)O4)CC7CC7)OC)O

DOS

IR

Vibrations