Geometry & MOs

Info

ID:	303009
PubChem CID:	124489093
Reduced:	O2N3C16H21 (1)
Stoich.:	A2B3C16D21 (1)
Weight, g/mol:	243.115381
ΔH_f, kcal/mol:	-37.33
Dipole, Da:	5.81
IP(EA), eV:	-8.1(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[5-(aminomethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N,N-dimethylpropanamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C2C(=C1)C[C@@H](O2)C)CNCC3=NC=CN3

DOS

IR

Vibrations