Geometry & MOs

Info

ID:	205956
PubChem CID:	80182967
Reduced:	NOC18H27 (1)
Stoich.:	ABC18D27 (1)
Weight, g/mol:	275.188529
ΔH_f, kcal/mol:	-50.38
Dipole, Da:	1.44
IP(EA), eV:	-8.7(0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-methyl-N-[(2-methyloxolan-2-yl)methyl]-2,3,4,5-tetrahydro-1-benzoxepin-5-amine

Drug info:

PubChemData

Smile

CC1(CCCO1)CNC2CCC(CC2)C3=CC=CC=C3

DOS

IR

Vibrations