Geometry & MOs

Info

ID:	372365
PubChem CID:	131296608
Reduced:	ClNOC11H14 (1)
Stoich.:	ABCD11E14 (1)
Weight, g/mol:	211.076392
ΔH_f, kcal/mol:	-35.61
Dipole, Da:	4.3
IP(EA), eV:	-9.14(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-chloro-2,3,4,5-tetrahydro-1-benzoxepin-4-yl)methanamine

Drug info:

PubChemData

Smile

C1COC2=C(CC1CN)C=CC(=C2)Cl

DOS

IR

Vibrations