Geometry & MOs

Info

ID:	425978
PubChem CID:	135134108
Reduced:	FNO4C25H32 (1)
Stoich.:	ABC4D25E32 (1)
Weight, g/mol:	263.163377
ΔH_f, kcal/mol:	-190.98
Dipole, Da:	9.68
IP(EA), eV:	-9.41(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[ethyl(methylamino)amino]-N-[(4-methoxyphenyl)methyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1([C@H]2CC[C@@H]([C@@H]1C2)COC3=CC(=C(C=C3C4CC4)C(=O)N5CCCC5C(=O)O)F)C

DOS

IR

Vibrations