Geometry & MOs

Info

ID:	387351
PubChem CID:	134985045
Reduced:	NPO3C19H30 (1)
Stoich.:	ABC3D19E30 (1)
Weight, g/mol:	290.220557
ΔH_f, kcal/mol:	-193.74
Dipole, Da:	2.44
IP(EA), eV:	-9.1(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,2R,3S,4S)-2-(aminomethyl)-3,4-bis(1,1-dimethoxyethyl)cyclobutyl]methanamine

Drug info:

PubChemData

Smile

CCCC(/C=C/C)N(CC1=CC=CC=C1)P2(=O)OCC(CO2)(C)C

DOS

IR

Vibrations