Geometry & MOs

Info

ID:	243143
PubChem CID:	99215969
Reduced:	O2N3C21H27 (1)
Stoich.:	A2B3C21D27 (1)
Weight, g/mol:	353.210327
ΔH_f, kcal/mol:	-30.02
Dipole, Da:	4.41
IP(EA), eV:	-9.02(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(prop-2-enoylamino)methyl]-N-[(Z)-[(1R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]benzamide

Drug info:

PubChemData

Smile

C[C@]1\2CC[C@H](C1(C)C)C/C2=N/NC(=O)C3=CC=C(C=C3)CNC(=O)C=C

DOS

IR

Vibrations