Geometry & MOs

Info

ID:	427352
PubChem CID:	135157522
Reduced:	N3O3C24H29 (1)
Stoich.:	A3B3C24D29 (1)
Weight, g/mol:	461.314123
ΔH_f, kcal/mol:	-75.66
Dipole, Da:	2.18
IP(EA), eV:	-8.66(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E)-3-[4-[2,4-dimethyl-4-(2,2,4-trimethylpentan-3-ylcarbamoyloxy)pentan-2-yl]oxyphenyl]prop-2-enoate

Drug info:

PubChemData

Smile

CC(C1=CC(=CC=C1)C(=O)C2=CC=CC=C2)C(=O)OC3CCN4CCCNCC4N3

DOS

IR

Vibrations