Geometry & MOs

Info

ID:	285222
PubChem CID:	104098725
Reduced:	SN2O2C14H16 (1)
Stoich.:	AB2C2D14E16 (1)
Weight, g/mol:	224.163711
ΔH_f, kcal/mol:	30.81
Dipole, Da:	7.29
IP(EA), eV:	-9.41(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[1-(2-methylpropyl)pyrazol-4-yl]methylamino]propanamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)[C@H](C)NCC2=CC=C(S2)[N+](=O)[O-]

DOS

IR

Vibrations