Geometry & MOs

Info

ID:	165820
PubChem CID:	74601266
Reduced:	NC21H33 (1)
Stoich.:	AB21C33 (1)
Weight, g/mol:	474.271644
ΔH_f, kcal/mol:	-0.83
Dipole, Da:	1.76
IP(EA), eV:	-8.59(0.57)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[1-cyclohexyl-2-[2-[[4-[(hydroxyhydrazinylidene)methyl]phenyl]methylcarbamoyl]azetidin-1-yl]-2-oxoethyl]-(2-ethoxy-2-oxoethyl)azanium

Drug info:

PubChemData

Smile

CC1(C2CCC1(C(C2)(CCCN(C)C)C3=CC=CC=C3)C)C

DOS

IR

Vibrations