Geometry & MOs

Info

ID:	413849
PubChem CID:	135086799
Reduced:	BrN2C24H25 (1)
Stoich.:	AB2C24D25 (1)
Weight, g/mol:	276.126263
ΔH_f, kcal/mol:	90.19
Dipole, Da:	2.77
IP(EA), eV:	-8.36(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(Z)-[2-[(E)-1-phenylprop-1-enyl]indol-3-ylidene]methyl]hydroxylamine

Drug info:

PubChemData

Smile

CC(C)(C)N=CC1=C(N(C2=CC=CC=C21)CCCC#CC3=CC=CC=C3)Br

DOS

IR

Vibrations