Geometry & MOs

Info

ID:	327808
PubChem CID:	126691093
Reduced:	N2C12H15 (2)
Stoich.:	A2B12C15 (2)
Weight, g/mol:	417.18009
ΔH_f, kcal/mol:	78.35
Dipole, Da:	2.41
IP(EA), eV:	-8.47(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-amino-3-(4-phenoxyphenyl)-2-[N'-(1-prop-2-ynoylpyrrolidin-3-yl)carbamimidoyl]prop-2-enamide

Drug info:

PubChemData

Smile

CN=C(/C(=C(/C1=CC=C(C=C1)CC2=CC=CC=C2)\N)/C=C)NC3CCN(C3)C

DOS

IR

Vibrations