Geometry & MOs

Info

ID:	373525
PubChem CID:	131316509
Reduced:	NOC14H19 (1)
Stoich.:	ABC14D19 (1)
Weight, g/mol:	218.153147
ΔH_f, kcal/mol:	-21.16
Dipole, Da:	2.15
IP(EA), eV:	-8.71(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(1,5-dimethylpyrazol-4-yl)-1,2-dimethylpyrrol-3-yl]methanamine

Drug info:

PubChemData

Smile

CCOC1=CC=CC2=C1C(NCC2)C=CC

DOS

IR

Vibrations