Geometry & MOs

Info

ID:	327544
PubChem CID:	126690300
Reduced:	SN6C28H36 (1)
Stoich.:	AB6C28D36 (1)
Weight, g/mol:	183.071785
ΔH_f, kcal/mol:	87.55
Dipole, Da:	4.13
IP(EA), eV:	-7.93(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(methylideneamino)-5-propylthiophen-3-yl]methanol

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C2=CC=C(C=C2)NC3=NC=NC4=C3SC=C4/C=C/C5=CC(C(CC5C)N)C

DOS

IR

Vibrations