Geometry & MOs

Info

ID:	391291
PubChem CID:	135004163
Reduced:	BrNOF3H11C12 (1)
Stoich.:	ABCD3E11F12 (1)
Weight, g/mol:	372.160456
ΔH_f, kcal/mol:	-188.88
Dipole, Da:	1.91
IP(EA), eV:	-9.2(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S,5S)-N-tert-butyl-7-(4-chlorophenyl)-4-(furan-2-yl)-2-methoxy-4,5-dihydro-3H-azepin-5-amine

Drug info:

PubChemData

Smile

CC1(C2=C(C=CC(=C2)C(F)(F)F)N(C1=O)C)CBr

DOS

IR

Vibrations