Geometry & MOs

Info

ID:	445238
PubChem CID:	135265363
Reduced:	S2O9C44H48 (1)
Stoich.:	A2B9C44D48 (1)
Weight, g/mol:	302.235814
ΔH_f, kcal/mol:	-303.99
Dipole, Da:	6.49
IP(EA), eV:	-8.42(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[(4-cyclopropylphenyl)methyl]-N-(2-ethenoxyethyl)-N'-ethyl-N-methylethane-1,2-diamine

Drug info:

PubChemData

Smile

CC(C)(CCCCOC(=O)COC1=CC2=C(C=C1)SC3=CCCC=C3C2=O)OCCCCC(C)(C)OC(=O)COC4=CC5=C(C=C4)SC6=CC=CC=C6C5=O

DOS

IR

Vibrations