Geometry & MOs

Info

ID:	151571
PubChem CID:	53837804
Reduced:	ClN2O2C20H25 (1)
Stoich.:	AB2C2D20E25 (1)
Weight, g/mol:	208.096026
ΔH_f, kcal/mol:	-75.51
Dipole, Da:	3.43
IP(EA), eV:	-9.48(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl N-(1-pyrazin-2-ylethylideneamino)carbamate

Drug info:

PubChemData

Smile

C[C@H](CC1=CC=C(C=C1)CNC(=O)C)NC[C@@H](C2=CC(=CC=C2)Cl)O

DOS

IR

Vibrations