Geometry & MOs

Info

ID:	271001
PubChem CID:	103639549
Reduced:	N3O4C16H25 (1)
Stoich.:	A3B4C16D25 (1)
Weight, g/mol:	294.230728
ΔH_f, kcal/mol:	-105.73
Dipole, Da:	4.83
IP(EA), eV:	-9.35(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-butan-2-yl-N-[(3-ethoxy-2-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine

Drug info:

PubChemData

Smile

CCN(CCNCC1=CC=C(C=C1)[N+](=O)[O-])C(=O)OC(C)(C)C

DOS

IR

Vibrations