Geometry & MOs

Info

ID:	149173
PubChem CID:	53788845
Reduced:	PN2O7C18H21 (1)
Stoich.:	AB2C7D18E21 (1)
Weight, g/mol:	131.131014
ΔH_f, kcal/mol:	-238.04
Dipole, Da:	10.43
IP(EA), eV:	-10.04(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[butyl(ethyl)amino]methanol

Drug info:

PubChemData

Smile

CC1=NC(=C(C(C1C(=O)OC)C2=CC(=CC=C2)[N+](=O)[O-])P3(=O)OCCCO3)C

DOS

IR

Vibrations