Geometry & MOs

Info

ID:	261800
PubChem CID:	103251882
Reduced:	N2O4C15H20 (1)
Stoich.:	A2B4C15D20 (1)
Weight, g/mol:	223.132077
ΔH_f, kcal/mol:	-62.34
Dipole, Da:	6.46
IP(EA), eV:	-9.52(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[[(2-methylpyrazol-3-yl)methylamino]methyl]prop-2-enoate

Drug info:

PubChemData

Smile

CCC(CC1CC1)NCC2=C(C(=CC=C2)[N+](=O)[O-])C(=O)O

DOS

IR

Vibrations