Geometry & MOs

Info

ID:	185477
PubChem CID:	77302687
Reduced:	BrN2O2C20H23 (1)
Stoich.:	AB2C2D20E23 (1)
Weight, g/mol:	493.13649
ΔH_f, kcal/mol:	-34.41
Dipole, Da:	7.96
IP(EA), eV:	-8.73(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-N-[[3-(aminomethyl)phenyl]methyl]-2-N-[(4-bromophenyl)methyl]spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2,3-dicarboxamide

Drug info:

PubChemData

Smile

C1CC1NC(=O)C2C3CCC(C2C(=O)NC4=CC=C(C=C4)Br)C35CC5

DOS

IR

Vibrations