Geometry & MOs

Info

ID:	283432
PubChem CID:	103980273
Reduced:	ON2F3C14H19 (1)
Stoich.:	AB2C3D14E19 (1)
Weight, g/mol:	170.178299
ΔH_f, kcal/mol:	-205.09
Dipole, Da:	4.85
IP(EA), eV:	-9.38(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butan-2-ylazepan-4-amine

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)[C@H](C)NC(C)C(=O)NCC(F)(F)F

DOS

IR

Vibrations