Geometry & MOs

Info

ID:	434011
PubChem CID:	135174162
Reduced:	ON4C23H26 (1)
Stoich.:	AB4C23D26 (1)
Weight, g/mol:	382.10446
ΔH_f, kcal/mol:	72.99
Dipole, Da:	7.03
IP(EA), eV:	-9.05(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3-[2-(2-bromo-4-methylphenyl)ethynyl]phenyl]methyl]-1-pyrrolidin-3-ylmethanamine

Drug info:

PubChemData

Smile

C=CCOC1=CC(=CC(=C1)/C=C/C2=NC=C(C=C2)C#N)CNCC3CCNC3

DOS

IR

Vibrations