Geometry & MOs

Info

ID:	312416
PubChem CID:	126604743
Reduced:	S2O3N6H14C17 (1)
Stoich.:	A2B3C6D14E17 (1)
Weight, g/mol:	220.157563
ΔH_f, kcal/mol:	30.56
Dipole, Da:	8.02
IP(EA), eV:	-8.83(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[3-(2-aminopropan-2-yl)phenyl]propan-2-yl]formamide

Drug info:

PubChemData

Smile

CC(=O)NC1=NC=C(C=C1)OC2=C3C(=C(S2)C(=O)N=NN)CCC4=C3SN=C4

DOS

IR

Vibrations