Geometry & MOs

Info

ID:	414578
PubChem CID:	135087537
Reduced:	N3O4C20H29 (1)
Stoich.:	A3B4C20D29 (1)
Weight, g/mol:	318.253195
ΔH_f, kcal/mol:	-156.17
Dipole, Da:	2.9
IP(EA), eV:	-9.12(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N,N-dimethyl-N'-[(5-methyl-1H-imidazol-4-yl)methyl]ethane-1,2-diamine

Drug info:

PubChemData

Smile

CC(=O)N[C@@]1(CCOC2([C@H]1O)CCN(CC2)C(=O)C3=CC=CN3C4CC4)C

DOS

IR

Vibrations