Geometry & MOs

Info

ID:	308031
PubChem CID:	125311940
Reduced:	N4O5H30C32 (1)
Stoich.:	A4B5C30D32 (1)
Weight, g/mol:	205.132746
ΔH_f, kcal/mol:	-81.52
Dipole, Da:	6.27
IP(EA), eV:	-8.59(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-methyl-4H-pyrazol-3-yl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)NCC1=CC2=C(C=C1)OCO2)NC(=O)[C@@H]3CC4=C5C=CC=CC5=N[C@@H]4[C@@H]6N3C(=O)C7=CC=CC=C67

DOS

IR

Vibrations