Geometry & MOs

Info

ID:	305646
PubChem CID:	124963590
Reduced:	ClO2N4C19H19 (1)
Stoich.:	AB2C4D19E19 (1)
Weight, g/mol:	380.23246
ΔH_f, kcal/mol:	-0.58
Dipole, Da:	4.25
IP(EA), eV:	-9.41(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1S,9S)-12-[(5-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-5-yl]morpholine

Drug info:

PubChemData

Smile

C1C[C@@H](N(C1)C(=O)CN2C=CN=C2)C3=NC=C(O3)CC4=CC=C(C=C4)Cl

DOS

IR

Vibrations