Geometry & MOs

Info

ID:	445256
PubChem CID:	135265547
Reduced:	N2C23H32 (1)
Stoich.:	A2B23C32 (1)
Weight, g/mol:	459.201273
ΔH_f, kcal/mol:	15.13
Dipole, Da:	2.93
IP(EA), eV:	-8.28(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z)-4-chloro-1-[2-[ethyl-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2,3-dihydropyridin-2-yl]amino]ethylamino]octa-3,7-dien-1-ol

Drug info:

PubChemData

Smile

CCCC(C)C1=CC=C(C=C1)C2=C(C=C(C(=C2)C)N=CN(C)CC)C

DOS

IR

Vibrations