Geometry & MOs

Info

ID:	342339
PubChem CID:	127265157
Reduced:	NOC14H19 (1)
Stoich.:	ABC14D19 (1)
Weight, g/mol:	291.148396
ΔH_f, kcal/mol:	-22.34
Dipole, Da:	0.55
IP(EA), eV:	-8.89(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methyl-3-phenylprop-2-enyl)-1-pyrimidin-2-ylpyrazol-4-amine

Drug info:

PubChemData

Smile

CC(=CC1=CC=CC=C1)CN2CC[C@H](C2)O

DOS

IR

Vibrations