Geometry & MOs

Info

ID:	317300
PubChem CID:	126635450
Reduced:	O2N3C29H33 (1)
Stoich.:	A2B3C29D33 (1)
Weight, g/mol:	396.204907
ΔH_f, kcal/mol:	-54.5
Dipole, Da:	9.06
IP(EA), eV:	-8.5(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(3S)-3-(diethylcarbamoyl)morpholin-4-yl]methyl]-4-phenylbenzoic acid

Drug info:

PubChemData

Smile

CCCCCNC1=C(C=CC(=C1)C(=O)NC2=CC3=C(CCC(=O)N3C)C=C2)C4=CC=CC(=C4)C

DOS

IR

Vibrations