Geometry & MOs

Info

ID:	402105
PubChem CID:	135054394
Reduced:	BrNOC15H16 (1)
Stoich.:	ABCD15E16 (1)
Weight, g/mol:	381.187484
ΔH_f, kcal/mol:	13.19
Dipole, Da:	3.06
IP(EA), eV:	-10.01(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-3-[4-[(Z)-1-phenyl-1-thiophen-2-ylbut-1-en-2-yl]pyrazol-1-yl]oxypropan-1-amine

Drug info:

PubChemData

Smile

C[C@@H](/C=C/CCCC#N)C(=O)C1=CC=C(C=C1)Br

DOS

IR

Vibrations