Geometry & MOs

Info

ID:	394644
PubChem CID:	135023383
Reduced:	OC12H15 (2)
Stoich.:	AB12C15 (2)
Weight, g/mol:	445.268905
ΔH_f, kcal/mol:	-67.53
Dipole, Da:	4.82
IP(EA), eV:	-9.0(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[2-[2-[2-[ethyl-(4-methyl-6-phenyl-1,3,5-triazin-2-yl)amino]ethoxy]ethoxy]ethyl]carbamate

Drug info:

PubChemData

Smile

CC1(CC2CC(=O)C3=C(CCCCC3)C=C2C1OCC4=CC=CC=C4)C

DOS

IR

Vibrations