Geometry & MOs

Info

ID:	188198
PubChem CID:	77681139
Reduced:	NO4C22H27 (1)
Stoich.:	AB4C22D27 (1)
Weight, g/mol:	298.215747
ΔH_f, kcal/mol:	-136.98
Dipole, Da:	4.67
IP(EA), eV:	-9.43(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methylpropyl)-N-[[2-(1H-pyrazol-5-yl)phenyl]methyl]pyrrolidin-3-amine

Drug info:

PubChemData

Smile

C1CC(N(C(=O)C1)CC#CCCCC(=O)O)CC=C(CC2=CC=CC=C2)O

DOS

IR

Vibrations