Geometry & MOs

Info

ID:	207962
PubChem CID:	80474682
Reduced:	BrNSC16H26 (1)
Stoich.:	ABCD16E26 (1)
Weight, g/mol:	337.0136
ΔH_f, kcal/mol:	-8.48
Dipole, Da:	1.15
IP(EA), eV:	-9.05(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-bromothiophen-2-yl)-1-(3,4-dihydro-2H-chromen-3-yl)-N-methylmethanamine

Drug info:

PubChemData

Smile

CCNC(C1CCC(CC1)C(C)C)C2=C(C=CS2)Br

DOS

IR

Vibrations