Geometry & MOs

Info

ID:	372181
PubChem CID:	131294197
Reduced:	SN4C10H12 (1)
Stoich.:	AB4C10D12 (1)
Weight, g/mol:	188.094963
ΔH_f, kcal/mol:	81.84
Dipole, Da:	11.82
IP(EA), eV:	-8.23(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-2-methyl-3,4-dihydro-2H-chromene-7-carbonitrile

Drug info:

PubChemData

Smile

CC(C)(C)C1=C2C(=C(N=C2SN1)C#N)N

DOS

IR

Vibrations