Geometry & MOs

Info

ID:	201037
PubChem CID:	79479479
Reduced:	ON2C12H20 (1)
Stoich.:	AB2C12D20 (1)
Weight, g/mol:	263.152144
ΔH_f, kcal/mol:	-28.56
Dipole, Da:	0.95
IP(EA), eV:	-8.1(0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethylamino)methyl]cyclopropyl]methanol

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)N(C)CCOCCN

DOS

IR

Vibrations