Geometry & MOs

Info

ID:	446829
PubChem CID:	135278046
Reduced:	N2O5C28H46 (1)
Stoich.:	A2B5C28D46 (1)
Weight, g/mol:	378.303499
ΔH_f, kcal/mol:	-255.18
Dipole, Da:	3.08
IP(EA), eV:	-9.03(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-N,N-dimethyl-4-[(1R)-4-[2-[[(3Z)-penta-1,3-dien-2-yl]-propan-2-ylamino]ethyl]cyclohexa-2,4-dien-1-yl]aniline

Drug info:

PubChemData

Smile

CC[C@H](C)[C@H](C)C(CC(=O)N1CCC[C@H]1C([C@@H](C)C(=O)NC(C)[C@H](C2=CC=CC=C2)O)OC)OC

DOS

IR

Vibrations