Geometry & MOs

Info

ID:	176930
PubChem CID:	76114752
Reduced:	O2N3C25H37 (2)
Stoich.:	A2B3C25D37 (2)
Weight, g/mol:	477.251523
ΔH_f, kcal/mol:	-167.48
Dipole, Da:	1.16
IP(EA), eV:	-8.43(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(1-cyano-2-hexylcyclopropyl)phenyl] 4-(2-propoxypropanoyloxy)benzoate

Drug info:

PubChemData

Smile

CCCCCCC(C(=O)NC1=CC(=CC(=C1)C2=NNC3N2NC(C3)C(C)(C)C)NC(=O)C(CCCCCC)OC4=C(C=C(C=C4)C(C)(C)CC)C)OC5=C(C=C(C=C5)C)C

DOS

IR

Vibrations