Geometry & MOs

Info

ID:	294771
PubChem CID:	117489812
Reduced:	NOC9H14 (2)
Stoich.:	ABC9D14 (2)
Weight, g/mol:	304.215078
ΔH_f, kcal/mol:	-85.81
Dipole, Da:	6.48
IP(EA), eV:	-8.81(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-methyl-5-(6-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-3-yl]methanamine

Drug info:

PubChemData

Smile

CC(C)N1CCN(CC1)C2=CC=CC=C2C(C)(C)CC(=O)O

DOS

IR

Vibrations