Geometry & MOs

Info

ID:	256457
PubChem CID:	103139335
Reduced:	NOH15C17 (1)
Stoich.:	ABC15D17 (1)
Weight, g/mol:	223.168462
ΔH_f, kcal/mol:	19.42
Dipole, Da:	3.43
IP(EA), eV:	-9.23(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[(5-methyloxolan-2-yl)methyl]pyrazol-4-yl]propan-1-amine

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(C2=CC=CC3=C2C=NC=C3)O

DOS

IR

Vibrations