Geometry & MOs

Info

ID:	150681
PubChem CID:	53790375
Reduced:	O4N5C24H39 (1)
Stoich.:	A4B5C24D39 (1)
Weight, g/mol:	252.196354
ΔH_f, kcal/mol:	-182.67
Dipole, Da:	3.06
IP(EA), eV:	-9.29(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

benzyl-ethyl-bis(2-methoxyethyl)azanium

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H](C=O)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)N

DOS

IR

Vibrations