Geometry & MOs

Info

ID:	342534
PubChem CID:	127265689
Reduced:	ON4C15H22 (1)
Stoich.:	AB4C15D22 (1)
Weight, g/mol:	275.163377
ΔH_f, kcal/mol:	-26.55
Dipole, Da:	3.7
IP(EA), eV:	-8.7(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]ethyl]-4-methoxyphenol

Drug info:

PubChemData

Smile

CC1CC(CCN1C)NCC2=CC3=C(C=C2)NC(=O)N3

DOS

IR

Vibrations