Geometry & MOs

Info

ID:	416385
PubChem CID:	135089398
Reduced:	O3N5C18H25 (1)
Stoich.:	A3B5C18D25 (1)
Weight, g/mol:	332.23246
ΔH_f, kcal/mol:	-6.33
Dipole, Da:	7.24
IP(EA), eV:	-8.74(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(dimethylamino)ethyl]-3-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-propylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CCCN1C[C@H]2CN([C@@H](C1)COC2)C(=O)C3=CN=C4C=C(NN4C3=O)C

DOS

IR

Vibrations