Geometry & MOs

Info

ID:	419498
PubChem CID:	135108281
Reduced:	N2O5C19H26 (1)
Stoich.:	A2B5C19D26 (1)
Weight, g/mol:	307.179696
ΔH_f, kcal/mol:	-125.43
Dipole, Da:	4.36
IP(EA), eV:	-8.36(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-cyclopropylimidazol-4-yl)methyl]-N-methyl-1-(3-pyrazol-1-ylphenyl)methanamine

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)C(=O)N2C[C@@H]3COC[C@H](C2)N(C3=O)C)OCC

DOS

IR

Vibrations